3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide

C7H11N3OS — CID 43429755

IUPAC3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCSCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3OS/c1-12-3-2-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyOCJMEGHSCBKJNL-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.10
Rot. Bonds4

About 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide

3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 43429755) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID43429755
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCSCCC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3OS/c1-12-3-2-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyOCJMEGHSCBKJNL-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
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CID 91754505
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 38016277
(2R)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016283
(2S)-N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
CID 38016288
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide (CID 43429755) is 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide is CSCCC(=O)Nc1cn[nH]c1.
What is the InChIKey of 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is OCJMEGHSCBKJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-12-3-2-7(11)10-6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide?
3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 185.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 43429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).